TDR Targets

Basic information

Technical information

TDR Targets ID: 409369
Name: (2E)-2-[(E)-3-(furan-2-yl)-1-methoxyprop-2-en ylidene]-4-methylcyclopent-4-ene-1,3-dione
MW: 244.243 | Formula: C14H12O4
H donors: 0 H acceptors: 2 LogP: 1.97 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CO/C(=C/1\C(=O)C=C(C1=O)C)/C=C/c1ccco1
InChi: 1S/C14H12O4/c1-9-8-11(15)13(14(9)16)12(17-2)6-5-10-4-3-7-18-10/h3-8H,1-2H3/b6-5+,13-12+
InChiKey: WXYDLDPRAKSESB-LHELVOSYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

(2E)-2-[(E)-3-(2-furyl)-1-methoxy-prop-2-enylidene]-4-methyl-cyclopent-4-ene-1,3-dione
(2E)-2-[(E)-3-(2-furyl)-1-methoxyprop-2-enylidene]-4-methylcyclopent-4-ene-1,3-dione
(2E)-2-[(E)-3-(furan-2-yl)-1-methoxy-prop-2-enylidene]-4-methyl-cyclopent-4-ene-1,3-dione
(2E)-2-[(E)-3-(2-furyl)-1-methoxy-prop-2-enylidene]-4-methyl-cyclopent-4-ene-1,3-quinone
(2E)-2-[(E)-3-furan-2-yl-1-methoxyprop-2-enylidene]-4-methylcyclopent-4-ene-1,3-dione
(2E)-2-[(E)-3-furan-2-yl-1-methoxy-prop-2-enylidene]-4-methyl-cyclopent-4-ene-1,3-dione

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	cyclins, putative	0.0138	0.0792	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0072	0.0145	0.1831
Loa Loa (eye worm)	oxidoreductase	0.0072	0.0145	0.0597
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0072	0.0145	0.1831
Brugia malayi	PAN domain containing protein	0.0061	0.0032	0.0037
Trypanosoma cruzi	cyclin, putative	0.0138	0.0792	1
Trichomonas vaginalis	cyclin B, putative	0.0138	0.0792	1
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0032	0.0132
Schistosoma mansoni	hypothetical protein	0.0134	0.076	0.3127
Giardia lamblia	G2/mitotic-specific cyclin B	0.0138	0.0792	1
Entamoeba histolytica	aldose reductase, putative	0.0072	0.0145	0.1831
Trichomonas vaginalis	cyclins, putative	0.0094	0.0363	0.4577
Echinococcus multilocularis	aldo keto reductase	0.0072	0.0145	0.0145
Brugia malayi	PAN domain containing protein	0.0061	0.0032	0.0037
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0072	0.0145	0.0145
Loa Loa (eye worm)	PAN domain-containing protein	0.0061	0.0032	0.0132
Entamoeba histolytica	cyclin, putative	0.0138	0.0792	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0072	0.0145	0.0145
Leishmania major	cyclin	0.0138	0.0792	1
Brugia malayi	PAN domain containing protein	0.0061	0.0032	0.0037
Echinococcus granulosus	hypothetical protein	0.0072	0.0145	0.0145
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0145	0.0597
Brugia malayi	PAN domain containing protein	0.0061	0.0032	0.0037
Loa Loa (eye worm)	PAN domain-containing protein	0.0061	0.0032	0.0132
Entamoeba histolytica	aldose reductase, putative	0.0072	0.0145	0.1831
Schistosoma mansoni	cyclin B	0.0138	0.0792	0.3261
Trypanosoma brucei	mitotic cyclin 6	0.0138	0.0792	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0072	0.0145	0.1831
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0072	0.0145	0.0145
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0072	0.0145	0.0145
Loa Loa (eye worm)	PAN domain-containing protein	0.0061	0.0032	0.0132
Plasmodium falciparum	cysteine repeat modular protein 1	0.0134	0.076	1
Loa Loa (eye worm)	hypothetical protein	0.0304	0.2429	1
Echinococcus granulosus	cyclin B	0.0138	0.0792	0.0792
Onchocerca volvulus		0.0072	0.0145	0.0471
Onchocerca volvulus		0.0134	0.076	0.3035
Loa Loa (eye worm)	hypothetical protein	0.0134	0.076	0.3127
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0072	0.0145	0.0145
Brugia malayi	PAN domain containing protein	0.0061	0.0032	0.0037
Trichomonas vaginalis	cyclin A, putative	0.0138	0.0792	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0072	0.0145	0.0145
Echinococcus granulosus	aldo keto reductase	0.0072	0.0145	0.0145
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0072	0.0145	0.0166
Loa Loa (eye worm)	hypothetical protein	0.0138	0.0792	0.3261
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0138	0.0792	0.0905
Trichomonas vaginalis	aldo/keto reductase, putative	0.0072	0.0145	0.1831
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0032	0.0132
Brugia malayi	PAN domain containing protein	0.0061	0.0032	0.0037
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.0134	0.076	0.5
Echinococcus granulosus	aldo keto reductase	0.0072	0.0145	0.0145
Toxoplasma gondii	aldose reductase, putative	0.0072	0.0145	0.0425
Trichomonas vaginalis	aldo-keto reductase, putative	0.0072	0.0145	0.1831
Loa Loa (eye worm)	oxidoreductase	0.0072	0.0145	0.0597
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0072	0.0145	0.0145
Onchocerca volvulus		0.0304	0.2429	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0072	0.0145	0.0166
Trichomonas vaginalis	aldo/keto reductase, putative	0.0072	0.0145	0.1831
Echinococcus multilocularis	tissue type plasminogen activator	0.0134	0.076	0.076
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0032	0.0132
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.1072	1	1
Toxoplasma gondii	PAN domain-containing protein	0.033	0.269	1
Echinococcus multilocularis	cathepsin b	0.0134	0.0756	0.0756
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0304	0.2429	1
Loa Loa (eye worm)	hypothetical protein	0.0304	0.2429	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0134	0.0756	0.9442
Brugia malayi	PAN domain containing protein	0.0061	0.0032	0.0037
Onchocerca volvulus		0.0072	0.0145	0.0471
Leishmania major	CYC2-like cyclin, putative,cyclin 6, putative	0.0138	0.0792	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0072	0.0145	0.1831
Echinococcus multilocularis	cyclin B	0.0138	0.0792	0.0792
Onchocerca volvulus		0.0138	0.0792	0.317
Trichomonas vaginalis	aldo-keto reductase, putative	0.0072	0.0145	0.1831
Toxoplasma gondii	kringle domain-containing protein	0.0134	0.076	0.2738
Trichomonas vaginalis	aldo-keto reductase, putative	0.0072	0.0145	0.1831
Trichomonas vaginalis	aldo-keto reductase, putative	0.0072	0.0145	0.1831
Trichomonas vaginalis	cyclins, putative	0.0138	0.0792	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0072	0.0145	0.0166
Loa Loa (eye worm)	hypothetical protein	0.008	0.0226	0.093
Trichomonas vaginalis	cyclin B, putative	0.0138	0.0792	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0072	0.0145	0.1831
Giardia lamblia	Aldose reductase	0.0072	0.0145	0.1831
Loa Loa (eye worm)	TK/ROR protein kinase	0.0134	0.076	0.3127
Trypanosoma cruzi	CYC2-like cyclin, putative	0.0138	0.0792	1
Trypanosoma cruzi	cyclin 6, putative	0.0138	0.0792	1
Toxoplasma gondii	PAN domain-containing protein	0.033	0.269	1
Loa Loa (eye worm)	hypothetical protein	0.0134	0.0756	0.3112
Trichomonas vaginalis	aldo-keto reductase, putative	0.0072	0.0145	0.1831
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0271	0.2105	0.2404
Echinococcus multilocularis	aldo keto reductase	0.0072	0.0145	0.0145
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0032	0.0132
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0032	0.0132
Trichomonas vaginalis	cyclins, putative	0.0138	0.0792	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0072	0.0145	0.0145
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0304	0.2429	1
Schistosoma mansoni	pol-related	0.0072	0.0145	0.0597
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0072	0.0145	0.0145
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0072	0.0145	0.0145
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0032	0.0132
Echinococcus multilocularis	aldo keto reductase	0.0072	0.0145	0.0145
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0072	0.0145	0.0145
Trichomonas vaginalis	cyclins, putative	0.0138	0.0792	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0134	0.0756	0.3112
Brugia malayi	PAN domain containing protein	0.0061	0.0032	0.0037
Loa Loa (eye worm)	PAN domain-containing protein	0.0061	0.0032	0.0132
Mycobacterium ulcerans	oxidoreductase	0.0072	0.0145	0.5
Trichomonas vaginalis	aldo-keto reductase, putative	0.0072	0.0145	0.1831
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0072	0.0145	0.0145
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0072	0.0145	0.0145
Brugia malayi	Kringle domain containing protein	0.0134	0.076	0.0868
Onchocerca volvulus		0.0072	0.0145	0.0471
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0134	0.0756	0.3112
Trichomonas vaginalis	cyclin B, putative	0.0138	0.0792	1
Loa Loa (eye worm)	hypothetical protein	0.0271	0.2105	0.8665
Leishmania major	hypothetical protein, conserved	0.0134	0.076	0.95
Brugia malayi	PAN domain containing protein	0.0061	0.0032	0.0037
Echinococcus granulosus	cathepsin b	0.0134	0.0756	0.0756
Brugia malayi	Trypsin family protein	0.0304	0.2429	0.2775
Onchocerca volvulus		0.0072	0.0145	0.0471
Onchocerca volvulus		0.0072	0.0145	0.0471
Echinococcus granulosus	tissue type plasminogen activator	0.0134	0.076	0.076
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0072	0.0145	0.0145
Schistosoma mansoni	aldo-keto reductase	0.0072	0.0145	0.0597
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0072	0.0145	0.0166
Echinococcus granulosus	cathepsin b	0.0134	0.0756	0.0756
Loa Loa (eye worm)	PAN domain-containing protein	0.0061	0.0032	0.0132
Onchocerca volvulus		0.0072	0.0145	0.0471
Echinococcus granulosus	neuropeptide FF receptor 2	0.0271	0.2105	0.2105
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0271	0.2105	0.2105
Brugia malayi	Protein kinase domain containing protein	0.0134	0.076	0.0868
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0138	0.0792	0.0905
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0072	0.0145	0.0145
Loa Loa (eye worm)	oxidoreductase	0.0072	0.0145	0.0597
Echinococcus multilocularis	aldo keto reductase	0.0072	0.0145	0.0145
Loa Loa (eye worm)	oxidoreductase	0.0072	0.0145	0.0597
Loa Loa (eye worm)	oxidoreductase	0.0072	0.0145	0.0597
Trypanosoma cruzi	cyclin, putative	0.0138	0.0792	1
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0072	0.0145	0.5
Trichomonas vaginalis	aldo-keto reductase, putative	0.0072	0.0145	0.1831
Schistosoma mansoni	aldo-keto reductase	0.0072	0.0145	0.0597
Trypanosoma cruzi	hypothetical protein, conserved	0.0134	0.076	0.95
Brugia malayi	GnHR receptor homolog	0.0945	0.8755	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0072	0.0145	0.5
Trichomonas vaginalis	cyclin B, putative	0.0138	0.0792	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0072	0.0145	0.1831
Trichomonas vaginalis	aldo-keto reductase, putative	0.0072	0.0145	0.1831
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0072	0.0145	0.0145
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0072	0.0145	0.0145
Trichomonas vaginalis	aldo/keto reductase, putative	0.0072	0.0145	0.1831
Echinococcus granulosus	aldo keto reductase	0.0072	0.0145	0.0145
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0072	0.0145	0.0145
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0134	0.0756	0.3112
Entamoeba histolytica	aldose reductase, putative	0.0072	0.0145	0.1831
Brugia malayi	PAN domain containing protein	0.0061	0.0032	0.0037
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0072	0.0145	0.0145
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0032	0.0132
Giardia lamblia	Aldose reductase	0.0072	0.0145	0.1831
Loa Loa (eye worm)	hypothetical protein	0.0138	0.0792	0.3261
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0134	0.0756	0.3112
Echinococcus multilocularis	cathepsin b	0.0134	0.0756	0.0756
Onchocerca volvulus		0.026	0.2002	0.8218
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0072	0.0145	0.1831
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0072	0.0145	0.0145
Brugia malayi	cathepsin B-like cysteine proteinase	0.0134	0.0756	0.0863

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 0.93 ug ml-1	Antifungal activity against fluconazole-susceptible Candida albicans	ChEMBL.	17181171
IC50 (functional)	= 0.93 ug ml-1	Antifungal activity against fluconazole-susceptible Candida albicans	ChEMBL.	17181171
IC50 (functional)	= 1.4 ug ml-1	Antifungal activity against Candida albicans ATCC 90028	ChEMBL.	17181171
IC50 (functional)	= 1.4 ug ml-1	Antifungal activity against Candida albicans ATCC 90028	ChEMBL.	17181171
IC50 (functional)	= 2.4 ug ml-1	Antifungal activity against fluconazole-resistant Candida albicans	ChEMBL.	17181171
IC50 (functional)	= 2.4 ug ml-1	Antifungal activity against fluconazole-resistant Candida albicans	ChEMBL.	17181171
IC50 (ADMET)	= 3.3 ug ml-1	Cytotoxicity against Vero cells by neutral red method	ChEMBL.	17181171
IC50 (ADMET)	= 3.3 ug ml-1	Cytotoxicity against LLC-PK1 cells by neutral red method	ChEMBL.	17181171
IC50 (functional)	= 3.4 ug ml-1	Antifungal activity against Cryptococcus neoformans ATCC 90113	ChEMBL.	17181171
IC50 (functional)	= 3.4 ug ml-1	Antifungal activity against Cryptococcus neoformans ATCC 90113	ChEMBL.	17181171
IC50 (functional)	= 8.98 ug ml-1	Antifungal activity against Aspergillus fumigatus ATCC 90906	ChEMBL.	17181171
MFC (functional)	= 2.5 ug ml-1	Antifungal activity against fluconazole-susceptible Candida albicans	ChEMBL.	17181171
MFC (functional)	= 2.5 ug ml-1	Antifungal activity against fluconazole-susceptible Candida albicans	ChEMBL.	17181171
MFC (functional)	= 4.17 ug ml-1	Antifungal activity against Candida albicans ATCC 90028	ChEMBL.	17181171
MFC (functional)	= 4.17 ug ml-1	Antifungal activity against Candida albicans ATCC 90028	ChEMBL.	17181171
MFC (functional)	= 6.67 ug ml-1	Antifungal activity against fluconazole-resistant Candida albicans	ChEMBL.	17181171
MFC (functional)	= 6.67 ug ml-1	Antifungal activity against fluconazole-resistant Candida albicans	ChEMBL.	17181171
MFC (functional)	= 13 ug ml-1	Antifungal activity against Cryptococcus neoformans ATCC 90113	ChEMBL.	17181171
MFC (functional)	= 13 ug ml-1	Antifungal activity against Cryptococcus neoformans ATCC 90113	ChEMBL.	17181171
MFC (functional)	= 20 ug ml-1	Antifungal activity against Aspergillus fumigatus ATCC 90906	ChEMBL.	17181171
MIC (functional)	= 2.5 ug ml-1	Antifungal activity against fluconazole-susceptible Candida albicans	ChEMBL.	17181171
MIC (functional)	= 2.5 ug ml-1	Antifungal activity against fluconazole-susceptible Candida albicans	ChEMBL.	17181171
MIC (functional)	= 4.17 ug ml-1	Antifungal activity against Candida albicans ATCC 90028	ChEMBL.	17181171
MIC (functional)	= 4.17 ug ml-1	Antifungal activity against fluconazole-resistant Candida albicans	ChEMBL.	17181171
MIC (functional)	= 4.17 ug ml-1	Antifungal activity against Candida albicans ATCC 90028	ChEMBL.	17181171
MIC (functional)	= 4.17 ug ml-1	Antifungal activity against fluconazole-resistant Candida albicans	ChEMBL.	17181171
MIC (functional)	= 10 ug ml-1	Antifungal activity against Cryptococcus neoformans ATCC 90113	ChEMBL.	17181171
MIC (functional)	= 10 ug ml-1	Antifungal activity against Cryptococcus neoformans ATCC 90113	ChEMBL.	17181171
MIC (functional)	= 20 ug ml-1	Antifungal activity against Aspergillus fumigatus ATCC 90906	ChEMBL.	17181171

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Candida albicans	ChEMBL23	17181171
Cryptococcus neoformans	ChEMBL23	17181171

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL219457
PubChem: 16099202

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 409369